General Information of the Compound
| Compound ID |
CP0295761
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| Compound Name |
6-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]-9H-purin-2-amine
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| Structure |
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| Formula |
C11H6N8O3S
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| Molecular Weight |
330.289
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| Canonical SMILES |
Nc1nc(Sc2ccc([N+]([O-])=O)c3nonc23)c2[nH]cnc2n1
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| InChI |
InChI=1S/C11H6N8O3S/c12-11-15-9-8(13-3-14-9)10(16-11)23-5-2-1-4(19(20)21)6-7(5)18-22-17-6/h1-3H,(H3,12,13,14,15,16)
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| InChIKey |
NPXXCZXQTLRXTP-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06124, Paired box protein Pax-8